1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene

C20H23F3 — CID 132573650

IUPAC1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESCc1c(C)c(C)c(C(C)c2ccc(C(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C20H23F3/c1-11-12(2)14(4)19(15(5)13(11)3)16(6)17-7-9-18(10-8-17)20(21,22)23/h7-10,16H,1-6H3
InChIKeyCZJDNLNZZXRHEC-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.40
Rot. Bonds2

About 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene

1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 132573650) has the molecular formula C20H23F3 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID132573650
Molecular FormulaC20H23F3
Molecular Weight320.40 g/mol
Exact Mass320.18
IUPAC Name1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESCc1c(C)c(C)c(C(C)c2ccc(C(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C20H23F3/c1-11-12(2)14(4)19(15(5)13(11)3)16(6)17-7-9-18(10-8-17)20(21,22)23/h7-10,16H,1-6H3
InChIKeyCZJDNLNZZXRHEC-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 134982830
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
(1S,2R,3S)-2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-diol
CID 102071267
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene (CID 132573650) is 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene is Cc1c(C)c(C)c(C(C)c2ccc(C(F)(F)F)cc2)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is CZJDNLNZZXRHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3/c1-11-12(2)14(4)19(15(5)13(11)3)16(6)17-7-9-18(10-8-17)20(21,22)23/h7-10,16H,1-6H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene has a molecular weight of 320.40 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 132573650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).